Information card for entry 7227843

Structure parameters

• Formula: C22 H27 N3 O4
• Calculated formula: C22 H27 N3 O4
• SMILES: O(c1ccc(cc1)N(=O)=O)/C=C1\C(=O)N2[C@H](CC1)[C@@H]1[C@H]3N(CCC1)CCC[C@H]3C2
• Title of publication: Semisynthesis of some matrine ether derivatives as insecticidal agents
• Authors of publication: Huang, Jiu-Lin; Lv, Min; Xu, Hui
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 26
• Pages of publication: 15997
• a: 8.8606 ± 0.0007 Å
• b: 9.866 ± 0.0006 Å
• c: 12.1556 ± 0.0016 Å
• α: 90°
• β: 108.727 ± 0.011°
• γ: 90°
• Cell volume: 1006.37 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No